search

HITS-MCM / gromacs-ramd

Random Acceleration Molecular Dynamics in GROMACS
GNU Lesser General Public License v2.1
30 stars 7 forks source link

Use ForceProvider interface to apply RAMD forces #14

Closed BerndDoser closed 3 years ago

BerndDoser commented 3 years ago

The ForceProvider interface enables a general way to apply special forces without changing core functions of GROMACS. To provide a well-separated RAMD module with a clean and easy to maintain interface to GROMACS the ForceProvider interface will be used.